SCHEMBL4553050

SCHEMBL4553050

Cc1nn(C2CC2)cc1C(N)=O

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BTK Q06187 6/20 0.44
JAK2 O60674 4/20 0.43
JAK1 P23458 4/20 0.43
TYK2 P29597 2/20 0.43
MGLL Q99685 1/20 0.39
ROCK2 O75116 4/20 0.38
PDE4D Q08499 1/20 0.37
FGFR1 P11362 2/20 0.36
FGFR2 P21802 2/20 0.36
FGFR4 P22455 2/20 0.36
FGFR3 P22607 2/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL20551867 0.84 NOTUM (0.45) BTKJAK2JAK1TYK2MGLL
SCHEMBL26029500 0.84 MGLL (0.39) BTKJAK2JAK1TYK2MGLL
SCHEMBL26976576 0.83 MGLL (0.39) BTKJAK2JAK1TYK2MGLL
SCHEMBL7314599 0.80 JAK1 (0.46) JAK2JAK1
SCHEMBL24159061 0.79 ROCK2 (0.45) BTKJAK2JAK1TYK2ROCK2
SCHEMBL21816295 0.78 TSHR (0.42)
SCHEMBL19191027 0.76 BTK (0.41) BTKJAK2JAK1TYK2PDE4D
SCHEMBL31226978 0.76 BTK (0.41) BTKJAK2JAK1TYK2PDE4D
SCHEMBL175153 0.75 BTK (0.52) BTKJAK2JAK1TYK2
SCHEMBL27860905 0.75 BTK (0.49) BTKJAK2JAK1TYK2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2010526-A1 BENZIMIDAZOLE 5-SULFONAMIDE DERIVATIVES AS CANNABINOID 1 (CB1) RECEPTOR LIGANDS AstraZeneca AB (SE) 2009-01-07 EP claimed
WO-2007120101-A1 BENZIMIDAZOLE 5-SULFONAMIDE DERIVATIVES AS CANNABINOID 1 (CB1) RECEPTOR LIGANDS ASTRAZENECA AB (SE) 2007-10-25 WO claimed